(5E)-1-butyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-butyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-butyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-butyl-5-[[3-(1-piperidin-1-iumyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-butyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-butyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H29N4O2S+ MolecularWeight: 353.50276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNCCC[NH+]2CCCCC2)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C/NCCC[NH+]2CCCCC2)/C(=O)NC1=S

InChI

InChI=1S/C17H28N4O2S/c1-2-3-12-21-16(23)14(15(22)19-17(21)24)13-18-8-7-11-20-9-5-4-6-10-20/h13,18H,2-12H2,1H3,(H,19,22,24)/p+1/b14-13+